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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Oct-2025	/M062X ST	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	RM062X	DEF2TZVPP	-309.620445426; Eh
	1-Oct-2025	/M062X H2C2B10I9_Allyl_iodide_TS_DB	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization TS	UM062X	DEF2TZVPP	-3419.94556431; Eh
	1-Oct-2025	/M062X Q_MA_TS	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization TS	UM062X	DEF2TZVPP	-708.056180539; Eh
	1-Oct-2025	/M062X C6H5_Allyl_iodide_TS_DB	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization TS	UM062X	DEF2TZVPP	-646.460047224; Eh
	1-Oct-2025	/B3LYP 1	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	UB3LYP	DEF2TZVPP	-3574.96766077; Eh
	1-Oct-2025	/M062X Allyl_iodide	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	RM062X	DEF2TZVPP	-414.920037715; Eh
	1-Oct-2025	/M062X 1_ST_TS	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization TS	UM062X	DEF2TZVPP	-3882.57572429; Eh
	1-Oct-2025	/M062X C6H5_Allyl_iodide_PRC_I	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.02	Geometry optimization Minimum	UM062X	DEF2TZVPP	-646.465761331; Eh
	1-Oct-2025	/M062X 4_MA_PRC	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UM062X	DEF2TZVPP	-3892.57233183; Eh
	1-Oct-2025	/B3LYP 2_ST	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UB3LYP	DEF2TZVPP	-1630.55619969; Eh

Results 21-30 of 129 (Search time: 0.001 seconds).